(2R)-1-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide

C17H16ClF3N4O2S — CID 169002572

IUPAC(2R)-1-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1nccs1)[C@H]1CCCN1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C17H16ClF3N4O2S/c18-13-10(3-1-4-11(13)17(19,20)21)9-23-16(27)25-7-2-5-12(25)14(26)24-15-22-6-8-28-15/h1,3-4,6,8,12H,2,5,7,9H2,(H,23,27)(H,22,24,26)/t12-/m1/s1
InChIKeyTYHHKACGYMOAPA-GFCCVEGCSA-N
MW432.86 g/mol
LogP4.13
Rot. Bonds4

About (2R)-1-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide

(2R)-1-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide (PubChem CID 169002572) has the molecular formula C17H16ClF3N4O2S and a molecular weight of 432.86 g/mol. Its IUPAC name is (2R)-1-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
PubChem CID169002572
Molecular FormulaC17H16ClF3N4O2S
Molecular Weight432.86 g/mol
Exact Mass432.06
IUPAC Name(2R)-1-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1nccs1)[C@H]1CCCN1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C17H16ClF3N4O2S/c18-13-10(3-1-4-11(13)17(19,20)21)9-23-16(27)25-7-2-5-12(25)14(26)24-15-22-6-8-28-15/h1,3-4,6,8,12H,2,5,7,9H2,(H,23,27)(H,22,24,26)/t12-/m1/s1
InChIKeyTYHHKACGYMOAPA-GFCCVEGCSA-N
XLogP4.13
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[[2-chloro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 168891044
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 42961197
1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55597555
1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55760566
N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 154748675
1-[2-(5-methylthiophen-2-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136579036
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
CID 25019699
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046
(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95286227
1-(2-bromo-5-chlorobenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 78865044
1-[4-(2-methylpropanoylamino)benzoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55669534

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide (CID 169002572) is (2R)-1-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide is O=C(Nc1nccs1)[C@H]1CCCN1C(=O)NCc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of (2R)-1-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is TYHHKACGYMOAPA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16ClF3N4O2S/c18-13-10(3-1-4-11(13)17(19,20)21)9-23-16(27)25-7-2-5-12(25)14(26)24-15-22-6-8-28-15/h1,3-4,6,8,12H,2,5,7,9H2,(H,23,27)(H,22,24,26)/t12-/m1/s1.
What are the key properties of (2R)-1-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 432.86 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 169002572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).